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Steroids and sterols

Ethyl cholate

Also known as cholic acid ethyl ester, Ethyl iso-allocholate, Ethyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate

CAS 47676-48-2Formula C26H44O5Molar mass 436.63 g/molEC 256-328-1
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Ethyl cholate chemical structure, C26H44O5, CAS 47676-48-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
47676-48-2
Formula
C26H44O5
Molar mass
436.63 g/mol
EC number
256-328-1
HS code
291819
Category
Steroids and sterols

What is Ethyl cholate?

Plain description, key identifiers and synonyms

ethyl cholate has been reported in Streptomyces parvulus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS number
47676-48-2 CAS number cross-checked
EC number
256-328-1
Molecular formula
C26H44O5
UNII
1AB03YEQ1S
InChIKey
FPDXMWHJGOCDQJ-HZAMXZRMSA-N
InChI
InChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
Canonical SMILES
CCOC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric SMILES
CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Synonyms

  • cholic acid ethyl ester
  • Ethyl iso-allocholate
  • Ethyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
  • Ethyl 3,7,12-trihydroxycholan-24-oate
  • ethyl 4-((1S,2S,7S,11S,16S,5R,9R,10R,14R,15R)-5,9,16-trihydroxy-2,15-dimethylt etracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate
  • ethyl isoallocholate
  • Cholan-24-oic acid, 3,7,12-trihydroxy-, ethyl ester, (3a,5ss,7a,12a)-, Cholic acid, ethyl ester (6CI), Ethyl cholate, Cholic Acid Ethyl Ester
  • 5Beta-cholanic acid-3alpha,7alpha,12alpha-triol ethyl ester
  • Ethyl 3,7,12-trihydroxycholan-24-oate #
  • ethyl (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
436.63 g/molcalc.
Exact mass
436.3189 Dacalc.
LogP (octanol/water)
3.93calc.
Topological polar surface area
86.99 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Ethyl cholate suppliers

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Ethyl cholate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ethyl cholate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ethyl cholate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ethyl cholate, based on the data on this page

What is Ethyl cholate?

ethyl cholate has been reported in Streptomyces parvulus.

What is the CAS number of Ethyl cholate?

The CAS registry number of Ethyl cholate is 47676-48-2.

What is the molecular formula and weight of Ethyl cholate?

The molecular formula of Ethyl cholate is C26H44O5 and its molar mass is 436.63 g/mol.

Is Ethyl cholate hazardous?

No GHS hazard classification for Ethyl cholate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Ethyl cholate?

Ethyl cholate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ethyl cholate?

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What is the price of Ethyl cholate?

Suppliers quote Ethyl cholate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ethyl cholate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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